Chemical bonding topology of superconductors. I. Ternary molybdenum chalcogenides (chevrel phases)

Journal Article · Sun Nov 01 04:00:00 EST 1987 · J. Solid State Chem.; (United States)

DOI:https://doi.org/10.1016/0022-4596(87)90162-9· OSTI ID:5419160

King, R B

Models for the chemical bonding topologies of ternary molybdenum chalcogenides (Chevrel phases) are derived using methods based on graph theory. The MMo/sub 6/S( Chevrel phases as well as their selenium analogs are viewed as three-dimensional lattices of edge-localized discrete Mo/sub 6/ octahedra linked electronically through interoctahedral metal-metal interactions. This porously delocalized chemical bonding topology is suggested to be a feature of superconducting systems exhibiting relatively high critical temperatures and magnetic fields. Fusion of molybdenum octahedra through face-sharing leads successively to the Mo/sub 9/S/sub 11/ naphthalene analog and the Mo/sub 12/S/sub 14/ anthracene analog, with increasing fusion leading to increasing delocalization of the chemical bonding topology within individual molybdenum cluster units. The infinite limit of such fusion of molybdenum octahedra corresponds to the infinite chain pseudo-one-dimensional metals (M/sub 2/Mo/sub 6/X/sub 6/)infinity (M = monovalent metal; X = S, Se, Te) which are formulated with globally delocalized octahedra cavities. Thus the progression from discrete Mo/sub 6/ octahedra in the MMo/sub 6/S/sub 8/ Chevrel phases to the infinite chains of face-fused octahedra in (M/sub 2/Mo/sub 6/X/sub 6/)infinity leads to a progression from an edge-localized to a globally delocalized chemical bonding topology.

• Research Organization: Univ. of Georgia, Athens
• OSTI ID: 5419160
• Journal Information: J. Solid State Chem.; (United States), Journal Name: J. Solid State Chem.; (United States) Vol. 71:1; ISSN JSSCB
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360603 -- Materials-- Properties
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALKALINE EARTH METAL COMPOUNDS
ANIONS
CHALCOGENIDES
CHARGED PARTICLES
CHEMICAL BONDS
DATA
EIGENVALUES
GRAPHS
INFORMATION
IONS
MATHEMATICAL MODELS
MATHEMATICS
MOLYBDENUM COMPOUNDS
MOLYBDENUM SULFIDES
NUMERICAL DATA
REFRACTORY METAL COMPOUNDS
SULFIDES
SULFUR COMPOUNDS
SUPERCONDUCTORS
THEORETICAL DATA
TOPOLOGY
TRANSITION ELEMENT COMPOUNDS